1-(difluoromethyl)-3-ethylimidazol-2-one

C6H8F2N2O — CID 116624241

IUPAC1-(difluoromethyl)-3-ethylimidazol-2-one
SMILESCCn1ccn(C(F)F)c1=O
InChIInChI=1S/C6H8F2N2O/c1-2-9-3-4-10(5(7)8)6(9)11/h3-5H,2H2,1H3
InChIKeyWGANRCNMGYIBID-UHFFFAOYSA-N
MW162.14 g/mol
LogP1.06
Rot. Bonds2

About 1-(difluoromethyl)-3-ethylimidazol-2-one

1-(difluoromethyl)-3-ethylimidazol-2-one (PubChem CID 116624241) has the molecular formula C6H8F2N2O and a molecular weight of 162.14 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-ethylimidazol-2-one.

Molecular Properties

Compound Name1-(difluoromethyl)-3-ethylimidazol-2-one
PubChem CID116624241
Molecular FormulaC6H8F2N2O
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name1-(difluoromethyl)-3-ethylimidazol-2-one
SMILESCCn1ccn(C(F)F)c1=O
InChIInChI=1S/C6H8F2N2O/c1-2-9-3-4-10(5(7)8)6(9)11/h3-5H,2H2,1H3
InChIKeyWGANRCNMGYIBID-UHFFFAOYSA-N
XLogP1.06
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-ethylimidazol-2-one?
The IUPAC name of 1-(difluoromethyl)-3-ethylimidazol-2-one (CID 116624241) is 1-(difluoromethyl)-3-ethylimidazol-2-one.
What is the SMILES notation for 1-(difluoromethyl)-3-ethylimidazol-2-one?
The canonical SMILES for 1-(difluoromethyl)-3-ethylimidazol-2-one is CCn1ccn(C(F)F)c1=O.
What is the InChIKey of 1-(difluoromethyl)-3-ethylimidazol-2-one?
The InChIKey is WGANRCNMGYIBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O/c1-2-9-3-4-10(5(7)8)6(9)11/h3-5H,2H2,1H3.
What are the key properties of 1-(difluoromethyl)-3-ethylimidazol-2-one?
1-(difluoromethyl)-3-ethylimidazol-2-one has a molecular weight of 162.14 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-ethylimidazol-2-one is sourced from PubChem (CID 116624241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).